Molecule

ID:93147

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₅N
Molecular Mass
197.105376
Exact Mass
197.02639023
Charge
0
InChI
InChI=1S/C7H4F5N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2
InChIKey
FPEXXFHBKBTGJL-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(c(cc1N)F)C(F)(F)F
Isomeric Smiles
FC(c1c(cc(c(c1)F)N)F)(F)F
Calculated Properties
JChem
Acid pKa
17.476225
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3075645
LogD (pH = 7.4)
2.3075721
Log P
2.3075721
Molar Refractivity
37.1649
Polarizability
12.561826
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation